UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11814101
11814101

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Popular Name: N-[[(2S)-8-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzam N-[[(2S)-8-[(1-ethyl-3,5-dimethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 -1.02 -49.42 2 6 1 61 411.57 6 ↓

Analogs

11814099
11814099

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Popular Name: N-[[(2R)-8-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzam N-[[(2R)-8-[(1-ethyl-3,5-dimethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 -0.88 -48.76 2 6 1 61 411.57 6 ↓

Analogs

11815498
11815498

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Popular Name: N-[[(2S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2S)-8-[(1,3-dimethylpyrazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 -0.84 -49.89 2 6 1 61 383.516 5 ↓

Analogs

11815496
11815496

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Popular Name: N-[[(2R)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2R)-8-[(1,3-dimethylpyrazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 -0.8 -49.39 2 6 1 61 383.516 5 ↓

Analogs

12021333
12021333

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Popular Name: N-[[(2S)-8-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2S)-8-[(1-ethyl-3-methyl-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 -0.79 -49.5 2 6 1 61 397.543 6 ↓

Analogs

12021327
12021327

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Popular Name: N-[[(2R)-8-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide N-[[(2R)-8-[(1-ethyl-3-methyl-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 -0.74 -49.07 2 6 1 61 397.543 6 ↓

Parameters Provided:

ring.id = 47141
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 47141 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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